UCSF

ZINC31909627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.72 15.6 -9.26 3 8 0 93 442.523 10
Lo Low (pH 4.5-6) 5.72 15.91 -36.39 4 8 1 94 443.531 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )